COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.219  -0.695   0.618  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.568   0.029   0.697  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.949  -1.271   0.348  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.302  -1.595   0.320  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.898   0.542   0.954  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.226   0.960   1.183  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.313  -3.583  -0.336  1.00  0.00           C  
HETATM    8  C   UNL     1       0.762  -5.431  -1.013  1.00  0.00           C  
HETATM    9  C   UNL     1       0.380  -2.912  -0.274  1.00  0.00           C  
HETATM   10  C   UNL     1       3.554  -1.076   0.088  1.00  0.00           C  
HETATM   11  C   UNL     1       5.573  -1.788   1.161  1.00  0.00           C  
HETATM   12  C   UNL     1       5.752   1.935   0.622  1.00  0.00           C  
HETATM   13  C   UNL     1       7.274   2.170   0.628  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.573  -1.957   0.041  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.866   2.081   0.816  1.00  0.00           O  
HETATM   16  S   UNL     1      -1.933   3.006   0.656  1.00  0.00           S  
HETATM   17  O   UNL     1      -1.890   4.287   1.269  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.390   3.152  -1.094  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.257   3.835  -1.862  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.617   3.950  -3.240  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.622   4.578  -4.050  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.231   2.259   1.361  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.562   0.946   1.005  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.879   1.432   1.253  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.925  -2.290   0.011  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.014  -4.194  -0.624  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.185  -6.310  -1.645  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.454  -5.981  -1.051  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.359  -4.527  -0.649  1.00  0.00           C  
HETATM   30  O   UNL     1       1.700  -2.589  -0.251  1.00  0.00           O  
HETATM   31  C   UNL     1       2.034  -1.250   0.119  1.00  0.00           C  
HETATM   32  O   UNL     1       4.150  -1.905   1.090  1.00  0.00           O  
HETATM   33  C   UNL     1       5.947  -0.332   1.451  1.00  0.00           C  
HETATM   34  N   UNL     1       5.369   0.533   0.412  1.00  0.00           N  
HETATM   35  C   UNL     1       3.907   0.387   0.367  1.00  0.00           C  
HETATM   36  C   UNL     1       5.736   2.783  -0.663  1.00  0.00           C  
HETATM   37  O   UNL     1       6.985   3.327  -0.183  1.00  0.00           O  
HETATM   38  H   UNL     1      -1.526   0.311   0.729  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.605  -2.596   0.050  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.439   0.618   0.170  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.358   0.133   1.881  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.909   1.768   1.445  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.361  -3.845  -0.357  1.00  0.00           H  
HETATM   44  H   UNL     1       1.559  -5.174  -1.709  1.00  0.00           H  
HETATM   45  H   UNL     1       3.933  -1.362  -0.893  1.00  0.00           H  
HETATM   46  H   UNL     1       5.951  -2.427   1.960  1.00  0.00           H  
HETATM   47  H   UNL     1       6.012  -2.095   0.212  1.00  0.00           H  
HETATM   48  H   UNL     1       5.232   2.398   1.461  1.00  0.00           H  
HETATM   49  H   UNL     1       7.680   2.411   1.611  1.00  0.00           H  
HETATM   50  H   UNL     1       7.842   1.397   0.110  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.268  -0.956   0.311  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.563   2.159  -1.508  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.299   3.746  -1.183  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.084   4.828  -1.447  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.347   3.241  -1.773  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.971   4.628  -5.082  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.436   5.587  -3.681  1.00  0.00           H  
HETATM   58  H   UNL     1       0.301   3.999  -4.006  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.762   2.731   2.022  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.256  -6.120  -1.776  1.00  0.00           H  
HETATM   61  H   UNL     1       1.666  -1.048   1.124  1.00  0.00           H  
HETATM   62  H   UNL     1       1.575  -0.554  -0.583  1.00  0.00           H  
HETATM   63  H   UNL     1       5.554  -0.043   2.426  1.00  0.00           H  
HETATM   64  H   UNL     1       7.032  -0.228   1.451  1.00  0.00           H  
HETATM   65  H   UNL     1       3.503   1.016  -0.426  1.00  0.00           H  
HETATM   66  H   UNL     1       3.481   0.688   1.324  1.00  0.00           H  
HETATM   67  H   UNL     1       5.833   2.199  -1.579  1.00  0.00           H  
HETATM   68  H   UNL     1       4.923   3.508  -0.704  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.630  -6.602  -0.173  1.00  0.00           H  
HETATM   70  H   UNL     1       1.179  -5.905  -0.124  1.00  0.00           H  
CONECT    1    5    5    4                                            
CONECT    2   23   23    3   38                                       
CONECT    3    2    4    4   25                                       
CONECT    4    3    3    1   39                                       
CONECT    5   23   24    1    1                                       
CONECT    6   24   40   41   42                                       
CONECT    7   25   25   29   43                                       
CONECT    8   26   27   44   70                                       
CONECT    9   14   14   30   26                                       
CONECT   10   35   31   32   45                                       
CONECT   11   33   32   46   47                                       
CONECT   12   36   13   34   48                                       
CONECT   13   37   12   49   50                                       
CONECT   14   25    9    9   51                                       
CONECT   15   16   16                                                 
CONECT   16   15   15   17   17                                       
CONECT   16   22   18                                                 
CONECT   17   16   16                                                 
CONECT   18   16   19   52   53                                       
CONECT   19   20   18   54   55                                       
CONECT   20   21   19                                                 
CONECT   21   20   56   57   58                                       
CONECT   22   16   23   59                                            
CONECT   23   22    2    2    5                                       
CONECT   24    6    5                                                 
CONECT   25    3   14    7    7                                       
CONECT   26    9   29   29    8                                       
CONECT   27    8   28                                                 
CONECT   28   29   27   60   69                                       
CONECT   29    7   26   26   28                                       
CONECT   30   31    9                                                 
CONECT   31   10   30   61   62                                       
CONECT   32   10   11                                                 
CONECT   33   34   11   63   64                                       
CONECT   34   12   35   33                                            
CONECT   35   34   10   65   66                                       
CONECT   36   37   12   67   68                                       
CONECT   37   36   13                                                 
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   28                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
CONECT   63   33                                                      
CONECT   64   33                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   28                                                      
CONECT   70    8                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
